CID 48928

67031-68-9

Structural Information

Molecular Formula
C20H23NO2
SMILES
C1CCN(CC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c22-20(18-12-6-2-7-13-18)23-19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKey
ARFDWWNAZVZZBC-UHFFFAOYSA-N
Compound name
(1-phenyl-2-piperidin-1-ylethyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.1
[M+Na]+ 332.16210 176.7
[M-H]- 308.16560 181.3
[M+NH4]+ 327.20670 186.7
[M+K]+ 348.13604 172.6
[M+H-H2O]+ 292.17014 164.5
[M+HCOO]- 354.17108 191.5
[M+CH3COO]- 368.18673 203.9
[M+Na-2H]- 330.14755 176.9
[M]+ 309.17233 170.3
[M]- 309.17343 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.